CID 135613340

497823-90-2

Structural Information

Molecular Formula
C17H15N5OS
SMILES
C=CCC1=C(C(=CC=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3)O
InChI
InChI=1S/C17H15N5OS/c1-2-6-12-7-5-8-13(15(12)23)11-19-22-16(20-21-17(22)24)14-9-3-4-10-18-14/h2-5,7-11,23H,1,6H2,(H,21,24)/b19-11+
InChIKey
XQIRIPNTUZJMAG-YBFXNURJSA-N
Compound name
4-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.09973 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10701 178.9
[M+Na]+ 360.08895 193.0
[M+NH4]+ 355.13355 184.6
[M+K]+ 376.06289 185.2
[M-H]- 336.09245 182.4
[M+Na-2H]- 358.07440 186.8
[M]+ 337.09918 182.1
[M]- 337.10028 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.